PUBCHEM-ZINC05828492 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 41 0 0 0 0 0 0 0 0999 V2000 -0.0460 1.5320 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 0.0020 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4350 -0.5770 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -2.1060 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -2.6840 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 -4.2130 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 -4.7900 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1190 -6.2540 0.3120 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2020 -6.8650 0.3770 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.1940 -7.4230 0.4370 N 0 5 0 0 0 0 0 0 0 0 0 0 1.3680 2.1120 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 3.6410 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 4.2230 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 5.7520 -0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1350 6.3350 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 7.8650 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 8.4860 -0.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 1.8890 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 1.8920 0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -0.3580 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -0.3550 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -0.2170 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 -0.2180 -0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -2.4660 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -2.4650 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -2.3240 1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -2.3240 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 -4.5770 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -4.5770 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7080 -4.4500 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8120 -4.4500 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 1.7550 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 1.7520 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 3.9980 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 4.0010 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 3.8660 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 3.8630 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 6.1080 -0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 6.1110 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7280 5.9780 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 5.9760 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3870 8.3240 -0.2480 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 M CHG 1 9 1 M CHG 1 10 -1 M CHG 1 42 -1 M END